USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.553 (180deg=0.533) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc=-0.00443 (180deg=-0.158) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.00224 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 13 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.22) USER MOD Single : A 14 CYS SG : rot 159:sc= -0.709 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.115) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00652) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.139 X(o=0.14,f=-0.24) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0233) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.659 8.233 2.975 1.00 0.00 N ATOM 2 CA MET A 1 10.564 8.089 1.824 1.00 0.00 C ATOM 3 C MET A 1 9.808 8.149 0.493 1.00 0.00 C ATOM 4 O MET A 1 10.068 9.056 -0.289 1.00 0.00 O ATOM 5 CB MET A 1 11.469 6.857 1.957 1.00 0.00 C ATOM 6 CG MET A 1 12.850 7.141 1.371 1.00 0.00 C ATOM 7 SD MET A 1 13.783 8.330 2.378 1.00 0.00 S ATOM 8 CE MET A 1 15.316 8.460 1.425 1.00 0.00 C ATOM 0 H1 MET A 1 10.217 8.289 3.851 1.00 0.00 H new ATOM 0 H2 MET A 1 9.096 9.100 2.867 1.00 0.00 H new ATOM 0 H3 MET A 1 9.023 7.411 3.022 1.00 0.00 H new ATOM 0 HA MET A 1 11.234 8.949 1.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.563 6.580 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.017 6.009 1.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.411 6.209 1.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.742 7.530 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.993 9.157 1.919 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.788 7.480 1.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.091 8.822 0.422 1.00 0.00 H new ATOM 18 N LEU A 2 8.906 7.204 0.191 1.00 0.00 N ATOM 19 CA LEU A 2 8.118 7.145 -1.047 1.00 0.00 C ATOM 20 C LEU A 2 6.637 7.410 -0.727 1.00 0.00 C ATOM 21 O LEU A 2 6.225 7.369 0.440 1.00 0.00 O ATOM 22 CB LEU A 2 8.292 5.777 -1.744 1.00 0.00 C ATOM 23 CG LEU A 2 9.561 5.522 -2.583 1.00 0.00 C ATOM 24 CD1 LEU A 2 9.625 6.430 -3.814 1.00 0.00 C ATOM 25 CD2 LEU A 2 10.866 5.624 -1.786 1.00 0.00 C ATOM 0 H LEU A 2 8.698 6.433 0.825 1.00 0.00 H new ATOM 0 HA LEU A 2 8.476 7.913 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.246 5.007 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.431 5.628 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 2 9.472 4.486 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.534 6.217 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.756 6.247 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.630 7.473 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.712 5.432 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.956 6.624 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.859 4.889 -0.982 1.00 0.00 H new ATOM 37 N LYS A 3 5.835 7.687 -1.763 1.00 0.00 N ATOM 38 CA LYS A 3 4.403 7.981 -1.690 1.00 0.00 C ATOM 39 C LYS A 3 3.719 7.045 -2.687 1.00 0.00 C ATOM 40 O LYS A 3 4.061 7.069 -3.872 1.00 0.00 O ATOM 41 CB LYS A 3 4.124 9.464 -2.029 1.00 0.00 C ATOM 42 CG LYS A 3 5.016 10.524 -1.348 1.00 0.00 C ATOM 43 CD LYS A 3 6.403 10.725 -1.991 1.00 0.00 C ATOM 44 CE LYS A 3 7.043 12.049 -1.568 1.00 0.00 C ATOM 45 NZ LYS A 3 6.558 13.186 -2.377 1.00 0.00 N ATOM 0 H LYS A 3 6.187 7.713 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 3 4.019 7.821 -0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.217 9.587 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.087 9.680 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.489 11.478 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.154 10.243 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.057 9.900 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.307 10.699 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.827 12.235 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.126 11.974 -1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.018 14.062 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.786 13.022 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.528 13.276 -2.267 1.00 0.00 H new ATOM 59 N LEU A 4 2.838 6.158 -2.227 1.00 0.00 N ATOM 60 CA LEU A 4 2.140 5.193 -3.085 1.00 0.00 C ATOM 61 C LEU A 4 0.676 5.119 -2.671 1.00 0.00 C ATOM 62 O LEU A 4 0.399 5.275 -1.485 1.00 0.00 O ATOM 63 CB LEU A 4 2.902 3.858 -2.962 1.00 0.00 C ATOM 64 CG LEU A 4 2.387 2.665 -3.789 1.00 0.00 C ATOM 65 CD1 LEU A 4 3.547 1.690 -4.013 1.00 0.00 C ATOM 66 CD2 LEU A 4 1.280 1.862 -3.099 1.00 0.00 C ATOM 0 H LEU A 4 2.584 6.086 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 4 2.130 5.481 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.940 4.037 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.900 3.565 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 4 1.983 3.087 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.199 0.839 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.349 2.196 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.920 1.341 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.971 1.040 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.654 1.463 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.426 2.511 -2.905 1.00 0.00 H new ATOM 78 N LYS A 5 -0.262 4.877 -3.589 1.00 0.00 N ATOM 79 CA LYS A 5 -1.692 4.778 -3.285 1.00 0.00 C ATOM 80 C LYS A 5 -2.244 3.440 -3.757 1.00 0.00 C ATOM 81 O LYS A 5 -1.812 2.915 -4.784 1.00 0.00 O ATOM 82 CB LYS A 5 -2.476 6.005 -3.757 1.00 0.00 C ATOM 83 CG LYS A 5 -2.605 6.153 -5.271 1.00 0.00 C ATOM 84 CD LYS A 5 -3.426 7.415 -5.566 1.00 0.00 C ATOM 85 CE LYS A 5 -4.025 7.416 -6.972 1.00 0.00 C ATOM 86 NZ LYS A 5 -5.071 6.383 -7.141 1.00 0.00 N ATOM 0 H LYS A 5 -0.048 4.742 -4.577 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.824 4.791 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.476 5.965 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.994 6.899 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.619 6.226 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.091 5.276 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.229 7.500 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.791 8.293 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.450 8.397 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.233 7.249 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.618 6.581 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.625 5.447 -7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.707 6.395 -6.318 1.00 0.00 H new ATOM 100 N VAL A 6 -3.114 2.830 -2.962 1.00 0.00 N ATOM 101 CA VAL A 6 -3.714 1.541 -3.236 1.00 0.00 C ATOM 102 C VAL A 6 -5.218 1.585 -2.951 1.00 0.00 C ATOM 103 O VAL A 6 -5.648 2.150 -1.939 1.00 0.00 O ATOM 104 CB VAL A 6 -2.914 0.515 -2.414 1.00 0.00 C ATOM 105 CG1 VAL A 6 -3.059 0.635 -0.885 1.00 0.00 C ATOM 106 CG2 VAL A 6 -3.273 -0.882 -2.876 1.00 0.00 C ATOM 0 H VAL A 6 -3.428 3.237 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.659 1.250 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.863 0.735 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.456 -0.133 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.719 1.619 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.105 0.504 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.709 -1.613 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.340 -1.050 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.029 -0.990 -3.933 1.00 0.00 H new ATOM 116 N GLU A 7 -6.030 0.979 -3.825 1.00 0.00 N ATOM 117 CA GLU A 7 -7.479 0.969 -3.674 1.00 0.00 C ATOM 118 C GLU A 7 -8.103 -0.274 -4.329 1.00 0.00 C ATOM 119 O GLU A 7 -8.123 -0.436 -5.550 1.00 0.00 O ATOM 120 CB GLU A 7 -8.014 2.279 -4.262 1.00 0.00 C ATOM 121 CG GLU A 7 -9.440 2.572 -3.797 1.00 0.00 C ATOM 122 CD GLU A 7 -9.857 3.958 -4.280 1.00 0.00 C ATOM 123 OE1 GLU A 7 -9.798 4.202 -5.509 1.00 0.00 O ATOM 124 OE2 GLU A 7 -10.319 4.790 -3.467 1.00 0.00 O ATOM 0 H GLU A 7 -5.697 0.485 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.755 0.908 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.361 3.101 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.991 2.225 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.124 1.818 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.497 2.521 -2.710 1.00 0.00 H new ATOM 131 N GLY A 8 -8.620 -1.183 -3.509 1.00 0.00 N ATOM 132 CA GLY A 8 -9.241 -2.422 -3.937 1.00 0.00 C ATOM 133 C GLY A 8 -10.757 -2.379 -3.878 1.00 0.00 C ATOM 134 O GLY A 8 -11.417 -2.808 -4.829 1.00 0.00 O ATOM 0 H GLY A 8 -8.616 -1.069 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.929 -2.644 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.882 -3.237 -3.309 1.00 0.00 H new ATOM 138 N MET A 9 -11.340 -1.924 -2.766 1.00 0.00 N ATOM 139 CA MET A 9 -12.792 -1.850 -2.621 1.00 0.00 C ATOM 140 C MET A 9 -13.146 -0.883 -1.497 1.00 0.00 C ATOM 141 O MET A 9 -12.330 -0.643 -0.605 1.00 0.00 O ATOM 142 CB MET A 9 -13.354 -3.259 -2.322 1.00 0.00 C ATOM 143 CG MET A 9 -14.842 -3.416 -2.645 1.00 0.00 C ATOM 144 SD MET A 9 -15.244 -3.098 -4.381 1.00 0.00 S ATOM 145 CE MET A 9 -16.954 -3.677 -4.395 1.00 0.00 C ATOM 0 H MET A 9 -10.823 -1.600 -1.949 1.00 0.00 H new ATOM 0 HA MET A 9 -13.235 -1.485 -3.547 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.789 -3.994 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.195 -3.486 -1.268 1.00 0.00 H new ATOM 0 HG2 MET A 9 -15.156 -4.427 -2.387 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.415 -2.734 -2.017 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.371 -3.557 -5.395 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.984 -4.730 -4.113 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.541 -3.095 -3.685 1.00 0.00 H new ATOM 155 N THR A 10 -14.373 -0.372 -1.486 1.00 0.00 N ATOM 156 CA THR A 10 -14.835 0.553 -0.466 1.00 0.00 C ATOM 157 C THR A 10 -15.283 -0.237 0.777 1.00 0.00 C ATOM 158 O THR A 10 -16.475 -0.483 0.972 1.00 0.00 O ATOM 159 CB THR A 10 -15.940 1.463 -1.048 1.00 0.00 C ATOM 160 OG1 THR A 10 -15.655 1.827 -2.392 1.00 0.00 O ATOM 161 CG2 THR A 10 -16.045 2.738 -0.209 1.00 0.00 C ATOM 0 H THR A 10 -15.077 -0.592 -2.191 1.00 0.00 H new ATOM 0 HA THR A 10 -14.027 1.212 -0.147 1.00 0.00 H new ATOM 0 HB THR A 10 -16.878 0.909 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.372 2.401 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.824 3.380 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.294 2.477 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.092 3.266 -0.229 1.00 0.00 H new ATOM 169 N CYS A 11 -14.339 -0.686 1.606 1.00 0.00 N ATOM 170 CA CYS A 11 -14.601 -1.430 2.832 1.00 0.00 C ATOM 171 C CYS A 11 -13.467 -1.095 3.790 1.00 0.00 C ATOM 172 O CYS A 11 -12.310 -1.088 3.368 1.00 0.00 O ATOM 173 CB CYS A 11 -14.641 -2.939 2.540 1.00 0.00 C ATOM 174 SG CYS A 11 -15.123 -3.884 4.016 1.00 0.00 S ATOM 0 H CYS A 11 -13.345 -0.536 1.435 1.00 0.00 H new ATOM 0 HA CYS A 11 -15.565 -1.161 3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -15.346 -3.137 1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.661 -3.271 2.197 1.00 0.00 H new ATOM 0 HG CYS A 11 -15.148 -5.152 3.730 1.00 0.00 H new ATOM 180 N ASN A 12 -13.774 -0.875 5.072 1.00 0.00 N ATOM 181 CA ASN A 12 -12.744 -0.557 6.063 1.00 0.00 C ATOM 182 C ASN A 12 -11.744 -1.709 6.147 1.00 0.00 C ATOM 183 O ASN A 12 -10.541 -1.498 6.287 1.00 0.00 O ATOM 184 CB ASN A 12 -13.341 -0.343 7.463 1.00 0.00 C ATOM 185 CG ASN A 12 -14.111 0.955 7.673 1.00 0.00 C ATOM 186 OD1 ASN A 12 -14.190 1.822 6.805 1.00 0.00 O ATOM 187 ND2 ASN A 12 -14.739 1.089 8.828 1.00 0.00 N ATOM 0 H ASN A 12 -14.722 -0.911 5.446 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.259 0.365 5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.008 -1.177 7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.531 -0.383 8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.300 1.921 9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.663 0.360 9.537 1.00 0.00 H new ATOM 194 N HIS A 13 -12.236 -2.948 6.045 1.00 0.00 N ATOM 195 CA HIS A 13 -11.406 -4.142 6.116 1.00 0.00 C ATOM 196 C HIS A 13 -10.312 -4.144 5.046 1.00 0.00 C ATOM 197 O HIS A 13 -9.260 -4.731 5.290 1.00 0.00 O ATOM 198 CB HIS A 13 -12.273 -5.402 6.026 1.00 0.00 C ATOM 199 CG HIS A 13 -13.357 -5.527 7.068 1.00 0.00 C ATOM 200 ND1 HIS A 13 -13.555 -4.730 8.177 1.00 0.00 N ATOM 201 CD2 HIS A 13 -14.338 -6.478 7.062 1.00 0.00 C ATOM 202 CE1 HIS A 13 -14.660 -5.171 8.800 1.00 0.00 C ATOM 203 NE2 HIS A 13 -15.175 -6.239 8.160 1.00 0.00 N ATOM 0 H HIS A 13 -13.228 -3.145 5.910 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.902 -4.138 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.737 -5.431 5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.623 -6.274 6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -14.449 -7.273 6.339 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.079 -4.730 9.692 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.007 -6.767 8.422 1.00 0.00 H new ATOM 211 N CYS A 14 -10.508 -3.472 3.901 1.00 0.00 N ATOM 212 CA CYS A 14 -9.498 -3.419 2.852 1.00 0.00 C ATOM 213 C CYS A 14 -8.213 -2.790 3.372 1.00 0.00 C ATOM 214 O CYS A 14 -7.129 -3.206 2.974 1.00 0.00 O ATOM 215 CB CYS A 14 -9.967 -2.572 1.674 1.00 0.00 C ATOM 216 SG CYS A 14 -11.388 -3.297 0.848 1.00 0.00 S ATOM 0 H CYS A 14 -11.362 -2.959 3.685 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.325 -4.447 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.223 -1.572 2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.151 -2.460 0.960 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.018 -2.377 0.180 1.00 0.00 H new ATOM 222 N VAL A 15 -8.313 -1.792 4.252 1.00 0.00 N ATOM 223 CA VAL A 15 -7.164 -1.110 4.818 1.00 0.00 C ATOM 224 C VAL A 15 -6.340 -2.142 5.600 1.00 0.00 C ATOM 225 O VAL A 15 -5.138 -2.297 5.348 1.00 0.00 O ATOM 226 CB VAL A 15 -7.640 0.101 5.654 1.00 0.00 C ATOM 227 CG1 VAL A 15 -6.476 0.963 6.153 1.00 0.00 C ATOM 228 CG2 VAL A 15 -8.557 1.021 4.831 1.00 0.00 C ATOM 0 H VAL A 15 -9.207 -1.436 4.591 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.511 -0.693 4.052 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.173 -0.327 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.865 1.799 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.819 0.360 6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.914 1.344 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.875 1.863 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.015 1.392 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.432 0.462 4.501 1.00 0.00 H new ATOM 238 N MET A 16 -6.976 -2.899 6.499 1.00 0.00 N ATOM 239 CA MET A 16 -6.297 -3.918 7.294 1.00 0.00 C ATOM 240 C MET A 16 -5.770 -5.050 6.402 1.00 0.00 C ATOM 241 O MET A 16 -4.643 -5.508 6.609 1.00 0.00 O ATOM 242 CB MET A 16 -7.239 -4.480 8.365 1.00 0.00 C ATOM 243 CG MET A 16 -7.653 -3.431 9.402 1.00 0.00 C ATOM 244 SD MET A 16 -8.668 -4.064 10.768 1.00 0.00 S ATOM 245 CE MET A 16 -8.757 -2.572 11.795 1.00 0.00 C ATOM 0 H MET A 16 -7.974 -2.820 6.693 1.00 0.00 H new ATOM 0 HA MET A 16 -5.446 -3.448 7.788 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.131 -4.880 7.884 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.750 -5.312 8.872 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.753 -2.977 9.817 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.205 -2.639 8.896 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.349 -2.779 12.687 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.751 -2.272 12.089 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.225 -1.767 11.228 1.00 0.00 H new ATOM 255 N ALA A 17 -6.551 -5.475 5.402 1.00 0.00 N ATOM 256 CA ALA A 17 -6.196 -6.542 4.477 1.00 0.00 C ATOM 257 C ALA A 17 -4.957 -6.182 3.671 1.00 0.00 C ATOM 258 O ALA A 17 -4.024 -6.987 3.615 1.00 0.00 O ATOM 259 CB ALA A 17 -7.348 -6.843 3.515 1.00 0.00 C ATOM 0 H ALA A 17 -7.469 -5.072 5.214 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.987 -7.428 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.055 -7.644 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.225 -7.152 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.585 -5.948 2.940 1.00 0.00 H new ATOM 265 N VAL A 18 -4.933 -5.004 3.042 1.00 0.00 N ATOM 266 CA VAL A 18 -3.784 -4.590 2.257 1.00 0.00 C ATOM 267 C VAL A 18 -2.582 -4.440 3.188 1.00 0.00 C ATOM 268 O VAL A 18 -1.502 -4.873 2.806 1.00 0.00 O ATOM 269 CB VAL A 18 -4.109 -3.389 1.345 1.00 0.00 C ATOM 270 CG1 VAL A 18 -4.135 -2.025 2.045 1.00 0.00 C ATOM 271 CG2 VAL A 18 -3.121 -3.336 0.176 1.00 0.00 C ATOM 0 H VAL A 18 -5.696 -4.328 3.065 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.505 -5.356 1.533 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.128 -3.566 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.372 -1.248 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.892 -2.033 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.159 -1.824 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.358 -2.485 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.107 -3.229 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.194 -4.256 -0.404 1.00 0.00 H new ATOM 281 N THR A 19 -2.749 -3.935 4.423 1.00 0.00 N ATOM 282 CA THR A 19 -1.609 -3.818 5.339 1.00 0.00 C ATOM 283 C THR A 19 -1.037 -5.226 5.573 1.00 0.00 C ATOM 284 O THR A 19 0.154 -5.469 5.384 1.00 0.00 O ATOM 285 CB THR A 19 -2.007 -3.177 6.682 1.00 0.00 C ATOM 286 OG1 THR A 19 -2.811 -2.029 6.543 1.00 0.00 O ATOM 287 CG2 THR A 19 -0.772 -2.724 7.461 1.00 0.00 C ATOM 0 H THR A 19 -3.639 -3.610 4.800 1.00 0.00 H new ATOM 0 HA THR A 19 -0.861 -3.165 4.889 1.00 0.00 H new ATOM 0 HB THR A 19 -2.563 -3.958 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.749 -2.296 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.082 -2.275 8.405 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.132 -3.584 7.661 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.220 -1.990 6.874 1.00 0.00 H new ATOM 295 N LYS A 20 -1.898 -6.189 5.926 1.00 0.00 N ATOM 296 CA LYS A 20 -1.516 -7.575 6.187 1.00 0.00 C ATOM 297 C LYS A 20 -0.747 -8.164 5.010 1.00 0.00 C ATOM 298 O LYS A 20 0.242 -8.873 5.215 1.00 0.00 O ATOM 299 CB LYS A 20 -2.787 -8.386 6.473 1.00 0.00 C ATOM 300 CG LYS A 20 -2.500 -9.749 7.107 1.00 0.00 C ATOM 301 CD LYS A 20 -3.827 -10.481 7.351 1.00 0.00 C ATOM 302 CE LYS A 20 -3.607 -11.825 8.043 1.00 0.00 C ATOM 303 NZ LYS A 20 -2.940 -12.837 7.196 1.00 0.00 N ATOM 0 H LYS A 20 -2.897 -6.019 6.039 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.854 -7.613 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.435 -7.813 7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.334 -8.533 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.860 -10.340 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.963 -9.621 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.480 -9.858 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.336 -10.639 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.009 -11.666 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.571 -12.217 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.826 -13.720 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.519 -13.019 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.005 -12.485 6.906 1.00 0.00 H new ATOM 317 N ALA A 21 -1.209 -7.903 3.788 1.00 0.00 N ATOM 318 CA ALA A 21 -0.589 -8.379 2.566 1.00 0.00 C ATOM 319 C ALA A 21 0.776 -7.713 2.375 1.00 0.00 C ATOM 320 O ALA A 21 1.777 -8.409 2.246 1.00 0.00 O ATOM 321 CB ALA A 21 -1.538 -8.118 1.392 1.00 0.00 C ATOM 0 H ALA A 21 -2.044 -7.341 3.623 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.411 -9.453 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.080 -8.473 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.477 -8.647 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.733 -7.049 1.313 1.00 0.00 H new ATOM 327 N LEU A 22 0.844 -6.383 2.462 1.00 0.00 N ATOM 328 CA LEU A 22 2.061 -5.588 2.299 1.00 0.00 C ATOM 329 C LEU A 22 3.157 -6.013 3.271 1.00 0.00 C ATOM 330 O LEU A 22 4.332 -6.021 2.902 1.00 0.00 O ATOM 331 CB LEU A 22 1.731 -4.099 2.481 1.00 0.00 C ATOM 332 CG LEU A 22 0.998 -3.507 1.264 1.00 0.00 C ATOM 333 CD1 LEU A 22 0.343 -2.185 1.659 1.00 0.00 C ATOM 334 CD2 LEU A 22 1.951 -3.275 0.085 1.00 0.00 C ATOM 0 H LEU A 22 0.023 -5.810 2.655 1.00 0.00 H new ATOM 0 HA LEU A 22 2.442 -5.759 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.114 -3.973 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.653 -3.544 2.652 1.00 0.00 H new ATOM 0 HG LEU A 22 0.240 -4.223 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.176 -1.765 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.371 -2.359 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.108 -1.487 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.396 -2.856 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.736 -2.580 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.399 -4.223 -0.213 1.00 0.00 H new ATOM 346 N LYS A 23 2.797 -6.432 4.491 1.00 0.00 N ATOM 347 CA LYS A 23 3.767 -6.884 5.492 1.00 0.00 C ATOM 348 C LYS A 23 4.516 -8.146 5.030 1.00 0.00 C ATOM 349 O LYS A 23 5.439 -8.571 5.725 1.00 0.00 O ATOM 350 CB LYS A 23 3.084 -7.091 6.861 1.00 0.00 C ATOM 351 CG LYS A 23 2.620 -5.782 7.526 1.00 0.00 C ATOM 352 CD LYS A 23 3.729 -4.904 8.127 1.00 0.00 C ATOM 353 CE LYS A 23 4.003 -5.182 9.609 1.00 0.00 C ATOM 354 NZ LYS A 23 4.838 -6.379 9.844 1.00 0.00 N ATOM 0 H LYS A 23 1.829 -6.467 4.809 1.00 0.00 H new ATOM 0 HA LYS A 23 4.516 -6.101 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.223 -7.747 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.777 -7.602 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.078 -5.193 6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.911 -6.030 8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.648 -5.059 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.454 -3.856 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.496 -4.314 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.053 -5.305 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.110 -6.421 10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.299 -7.233 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.694 -6.326 9.256 1.00 0.00 H new ATOM 368 N LYS A 24 4.162 -8.766 3.893 1.00 0.00 N ATOM 369 CA LYS A 24 4.838 -9.958 3.377 1.00 0.00 C ATOM 370 C LYS A 24 6.320 -9.699 3.118 1.00 0.00 C ATOM 371 O LYS A 24 7.075 -10.669 3.047 1.00 0.00 O ATOM 372 CB LYS A 24 4.144 -10.487 2.113 1.00 0.00 C ATOM 373 CG LYS A 24 4.390 -9.609 0.874 1.00 0.00 C ATOM 374 CD LYS A 24 3.482 -9.933 -0.313 1.00 0.00 C ATOM 375 CE LYS A 24 3.611 -11.385 -0.794 1.00 0.00 C ATOM 376 NZ LYS A 24 2.564 -12.264 -0.234 1.00 0.00 N ATOM 0 H LYS A 24 3.392 -8.448 3.304 1.00 0.00 H new ATOM 0 HA LYS A 24 4.769 -10.727 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.496 -11.498 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.072 -10.554 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.250 -8.564 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.429 -9.721 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.446 -9.740 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.720 -9.261 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.557 -11.409 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.592 -11.771 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.886 -13.252 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.376 -11.995 0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.692 -12.165 -0.792 1.00 0.00 H new ATOM 390 N VAL A 25 6.730 -8.443 2.925 1.00 0.00 N ATOM 391 CA VAL A 25 8.112 -8.053 2.697 1.00 0.00 C ATOM 392 C VAL A 25 8.556 -7.374 4.003 1.00 0.00 C ATOM 393 O VAL A 25 8.273 -6.193 4.203 1.00 0.00 O ATOM 394 CB VAL A 25 8.270 -7.191 1.423 1.00 0.00 C ATOM 395 CG1 VAL A 25 8.184 -8.065 0.162 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.244 -6.059 1.252 1.00 0.00 C ATOM 0 H VAL A 25 6.087 -7.651 2.924 1.00 0.00 H new ATOM 0 HA VAL A 25 8.762 -8.902 2.485 1.00 0.00 H new ATOM 0 HB VAL A 25 9.249 -6.729 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.298 -7.439 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.977 -8.812 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.216 -8.565 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.448 -5.520 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.240 -6.481 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.316 -5.372 2.096 1.00 0.00 H new ATOM 406 N PRO A 26 9.213 -8.086 4.938 1.00 0.00 N ATOM 407 CA PRO A 26 9.661 -7.541 6.218 1.00 0.00 C ATOM 408 C PRO A 26 10.899 -6.638 6.076 1.00 0.00 C ATOM 409 O PRO A 26 11.855 -6.749 6.847 1.00 0.00 O ATOM 410 CB PRO A 26 9.884 -8.786 7.086 1.00 0.00 C ATOM 411 CG PRO A 26 10.430 -9.795 6.083 1.00 0.00 C ATOM 412 CD PRO A 26 9.605 -9.483 4.837 1.00 0.00 C ATOM 0 HA PRO A 26 8.935 -6.866 6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.590 -8.596 7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.958 -9.131 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.498 -9.661 5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.288 -10.822 6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.188 -9.658 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.728 -10.128 4.781 1.00 0.00 H new ATOM 420 N GLY A 27 10.898 -5.743 5.089 1.00 0.00 N ATOM 421 CA GLY A 27 11.982 -4.824 4.794 1.00 0.00 C ATOM 422 C GLY A 27 11.532 -3.384 4.620 1.00 0.00 C ATOM 423 O GLY A 27 12.275 -2.617 4.009 1.00 0.00 O ATOM 0 H GLY A 27 10.108 -5.639 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.716 -4.871 5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.486 -5.150 3.884 1.00 0.00 H new ATOM 427 N VAL A 28 10.331 -3.011 5.078 1.00 0.00 N ATOM 428 CA VAL A 28 9.837 -1.638 4.965 1.00 0.00 C ATOM 429 C VAL A 28 9.756 -1.064 6.378 1.00 0.00 C ATOM 430 O VAL A 28 10.425 -0.088 6.684 1.00 0.00 O ATOM 431 CB VAL A 28 8.497 -1.563 4.197 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.258 -0.130 3.703 1.00 0.00 C ATOM 433 CG2 VAL A 28 8.436 -2.507 2.987 1.00 0.00 C ATOM 0 H VAL A 28 9.680 -3.650 5.534 1.00 0.00 H new ATOM 0 HA VAL A 28 10.522 -1.034 4.370 1.00 0.00 H new ATOM 0 HB VAL A 28 7.726 -1.874 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.312 -0.084 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.222 0.548 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.070 0.166 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.470 -2.404 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.230 -2.251 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.565 -3.536 3.322 1.00 0.00 H new ATOM 443 N GLU A 29 9.009 -1.712 7.273 1.00 0.00 N ATOM 444 CA GLU A 29 8.799 -1.350 8.673 1.00 0.00 C ATOM 445 C GLU A 29 7.949 -0.086 8.848 1.00 0.00 C ATOM 446 O GLU A 29 6.937 -0.140 9.550 1.00 0.00 O ATOM 447 CB GLU A 29 10.128 -1.260 9.456 1.00 0.00 C ATOM 448 CG GLU A 29 11.062 -2.469 9.278 1.00 0.00 C ATOM 449 CD GLU A 29 10.447 -3.723 9.887 1.00 0.00 C ATOM 450 OE1 GLU A 29 9.551 -4.343 9.268 1.00 0.00 O ATOM 451 OE2 GLU A 29 10.801 -4.067 11.040 1.00 0.00 O ATOM 0 H GLU A 29 8.501 -2.560 7.021 1.00 0.00 H new ATOM 0 HA GLU A 29 8.221 -2.166 9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.658 -0.360 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.902 -1.145 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.255 -2.632 8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.023 -2.264 9.750 1.00 0.00 H new ATOM 458 N LYS A 30 8.300 1.033 8.214 1.00 0.00 N ATOM 459 CA LYS A 30 7.561 2.286 8.332 1.00 0.00 C ATOM 460 C LYS A 30 6.589 2.402 7.166 1.00 0.00 C ATOM 461 O LYS A 30 6.981 2.747 6.047 1.00 0.00 O ATOM 462 CB LYS A 30 8.568 3.443 8.351 1.00 0.00 C ATOM 463 CG LYS A 30 9.175 3.695 9.740 1.00 0.00 C ATOM 464 CD LYS A 30 8.277 4.596 10.597 1.00 0.00 C ATOM 465 CE LYS A 30 8.344 6.029 10.054 1.00 0.00 C ATOM 466 NZ LYS A 30 7.276 6.881 10.591 1.00 0.00 N ATOM 0 H LYS A 30 9.112 1.094 7.600 1.00 0.00 H new ATOM 0 HA LYS A 30 6.981 2.317 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.370 3.230 7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.074 4.352 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.327 2.743 10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.156 4.158 9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.249 4.233 10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.602 4.572 11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.312 6.464 10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.275 6.006 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.364 7.839 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.351 6.483 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.356 6.926 11.627 1.00 0.00 H new ATOM 480 N VAL A 31 5.310 2.150 7.434 1.00 0.00 N ATOM 481 CA VAL A 31 4.235 2.200 6.451 1.00 0.00 C ATOM 482 C VAL A 31 3.011 2.863 7.086 1.00 0.00 C ATOM 483 O VAL A 31 2.664 2.538 8.223 1.00 0.00 O ATOM 484 CB VAL A 31 3.935 0.767 5.938 1.00 0.00 C ATOM 485 CG1 VAL A 31 5.147 0.159 5.212 1.00 0.00 C ATOM 486 CG2 VAL A 31 3.512 -0.244 7.024 1.00 0.00 C ATOM 0 H VAL A 31 4.986 1.898 8.368 1.00 0.00 H new ATOM 0 HA VAL A 31 4.526 2.797 5.587 1.00 0.00 H new ATOM 0 HB VAL A 31 3.090 0.919 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.899 -0.845 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.409 0.782 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.994 0.108 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.325 -1.215 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.308 -0.339 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.603 0.107 7.513 1.00 0.00 H new ATOM 496 N GLU A 32 2.357 3.799 6.402 1.00 0.00 N ATOM 497 CA GLU A 32 1.167 4.466 6.923 1.00 0.00 C ATOM 498 C GLU A 32 0.196 4.695 5.769 1.00 0.00 C ATOM 499 O GLU A 32 0.636 5.022 4.668 1.00 0.00 O ATOM 500 CB GLU A 32 1.552 5.765 7.640 1.00 0.00 C ATOM 501 CG GLU A 32 0.350 6.307 8.424 1.00 0.00 C ATOM 502 CD GLU A 32 0.762 7.388 9.416 1.00 0.00 C ATOM 503 OE1 GLU A 32 1.446 7.037 10.412 1.00 0.00 O ATOM 504 OE2 GLU A 32 0.392 8.570 9.224 1.00 0.00 O ATOM 0 H GLU A 32 2.636 4.116 5.473 1.00 0.00 H new ATOM 0 HA GLU A 32 0.672 3.842 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.386 5.583 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.887 6.506 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.384 6.713 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.134 5.489 8.958 1.00 0.00 H new ATOM 511 N VAL A 33 -1.108 4.545 6.015 1.00 0.00 N ATOM 512 CA VAL A 33 -2.178 4.704 5.028 1.00 0.00 C ATOM 513 C VAL A 33 -3.309 5.544 5.634 1.00 0.00 C ATOM 514 O VAL A 33 -3.570 5.442 6.840 1.00 0.00 O ATOM 515 CB VAL A 33 -2.683 3.308 4.580 1.00 0.00 C ATOM 516 CG1 VAL A 33 -3.592 3.400 3.342 1.00 0.00 C ATOM 517 CG2 VAL A 33 -1.532 2.312 4.317 1.00 0.00 C ATOM 0 H VAL A 33 -1.460 4.301 6.941 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.803 5.225 4.147 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.268 2.924 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.925 2.401 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.459 4.020 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.037 3.845 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.945 1.352 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.887 2.701 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.951 2.179 5.229 1.00 0.00 H new ATOM 527 N SER A 34 -3.947 6.399 4.832 1.00 0.00 N ATOM 528 CA SER A 34 -5.054 7.248 5.260 1.00 0.00 C ATOM 529 C SER A 34 -6.334 6.386 5.313 1.00 0.00 C ATOM 530 O SER A 34 -6.500 5.451 4.530 1.00 0.00 O ATOM 531 CB SER A 34 -5.156 8.437 4.287 1.00 0.00 C ATOM 532 OG SER A 34 -5.582 9.642 4.904 1.00 0.00 O ATOM 0 H SER A 34 -3.702 6.521 3.849 1.00 0.00 H new ATOM 0 HA SER A 34 -4.901 7.660 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.183 8.600 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.852 8.183 3.487 1.00 0.00 H new ATOM 0 HG SER A 34 -5.327 10.404 4.344 1.00 0.00 H new ATOM 538 N LEU A 35 -7.229 6.653 6.268 1.00 0.00 N ATOM 539 CA LEU A 35 -8.489 5.916 6.428 1.00 0.00 C ATOM 540 C LEU A 35 -9.509 6.266 5.340 1.00 0.00 C ATOM 541 O LEU A 35 -10.147 5.390 4.749 1.00 0.00 O ATOM 542 CB LEU A 35 -9.064 6.188 7.830 1.00 0.00 C ATOM 543 CG LEU A 35 -10.025 5.101 8.353 1.00 0.00 C ATOM 544 CD1 LEU A 35 -10.140 5.222 9.873 1.00 0.00 C ATOM 545 CD2 LEU A 35 -11.443 5.190 7.775 1.00 0.00 C ATOM 0 H LEU A 35 -7.100 7.393 6.958 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.276 4.852 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.238 6.292 8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.591 7.142 7.813 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.599 4.148 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.818 4.456 10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.157 5.089 10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.527 6.208 10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.057 4.392 8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.880 6.155 8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.401 5.087 6.691 1.00 0.00 H new ATOM 557 N GLU A 36 -9.681 7.569 5.099 1.00 0.00 N ATOM 558 CA GLU A 36 -10.630 8.106 4.129 1.00 0.00 C ATOM 559 C GLU A 36 -10.182 8.010 2.670 1.00 0.00 C ATOM 560 O GLU A 36 -11.049 8.004 1.795 1.00 0.00 O ATOM 561 CB GLU A 36 -10.962 9.563 4.498 1.00 0.00 C ATOM 562 CG GLU A 36 -11.835 9.691 5.756 1.00 0.00 C ATOM 563 CD GLU A 36 -13.260 9.179 5.532 1.00 0.00 C ATOM 564 OE1 GLU A 36 -13.489 7.954 5.648 1.00 0.00 O ATOM 565 OE2 GLU A 36 -14.159 10.010 5.256 1.00 0.00 O ATOM 0 H GLU A 36 -9.151 8.293 5.585 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.518 7.477 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.033 10.111 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.475 10.034 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.376 9.133 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.872 10.736 6.065 1.00 0.00 H new ATOM 572 N LYS A 37 -8.878 7.935 2.376 1.00 0.00 N ATOM 573 CA LYS A 37 -8.368 7.852 1.004 1.00 0.00 C ATOM 574 C LYS A 37 -7.330 6.749 0.950 1.00 0.00 C ATOM 575 O LYS A 37 -6.572 6.604 1.899 1.00 0.00 O ATOM 576 CB LYS A 37 -7.715 9.167 0.538 1.00 0.00 C ATOM 577 CG LYS A 37 -8.559 10.442 0.713 1.00 0.00 C ATOM 578 CD LYS A 37 -8.414 11.141 2.072 1.00 0.00 C ATOM 579 CE LYS A 37 -6.985 11.642 2.298 1.00 0.00 C ATOM 580 NZ LYS A 37 -6.851 12.328 3.593 1.00 0.00 N ATOM 0 H LYS A 37 -8.146 7.930 3.086 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.210 7.650 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.780 9.297 1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.458 9.068 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.288 11.148 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.608 10.187 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.107 11.980 2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.688 10.449 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.293 10.801 2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.706 12.323 1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.871 12.654 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.494 13.145 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.094 11.670 4.361 1.00 0.00 H new ATOM 594 N GLY A 38 -7.201 6.056 -0.173 1.00 0.00 N ATOM 595 CA GLY A 38 -6.245 4.973 -0.337 1.00 0.00 C ATOM 596 C GLY A 38 -4.805 5.446 -0.520 1.00 0.00 C ATOM 597 O GLY A 38 -4.039 4.746 -1.175 1.00 0.00 O ATOM 0 H GLY A 38 -7.764 6.233 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.296 4.321 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.533 4.374 -1.201 1.00 0.00 H new ATOM 601 N GLU A 39 -4.417 6.631 -0.044 1.00 0.00 N ATOM 602 CA GLU A 39 -3.054 7.122 -0.202 1.00 0.00 C ATOM 603 C GLU A 39 -2.239 6.664 1.003 1.00 0.00 C ATOM 604 O GLU A 39 -2.745 6.620 2.129 1.00 0.00 O ATOM 605 CB GLU A 39 -3.027 8.642 -0.429 1.00 0.00 C ATOM 606 CG GLU A 39 -3.309 9.499 0.813 1.00 0.00 C ATOM 607 CD GLU A 39 -3.337 10.995 0.498 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.593 11.484 -0.392 1.00 0.00 O ATOM 609 OE2 GLU A 39 -4.129 11.729 1.130 1.00 0.00 O ATOM 0 H GLU A 39 -5.035 7.269 0.457 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.597 6.702 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.049 8.916 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.761 8.891 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.265 9.204 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.546 9.304 1.566 1.00 0.00 H new ATOM 616 N ALA A 40 -0.974 6.330 0.753 1.00 0.00 N ATOM 617 CA ALA A 40 -0.047 5.843 1.751 1.00 0.00 C ATOM 618 C ALA A 40 1.358 6.401 1.553 1.00 0.00 C ATOM 619 O ALA A 40 1.723 6.903 0.482 1.00 0.00 O ATOM 620 CB ALA A 40 -0.025 4.317 1.646 1.00 0.00 C ATOM 0 H ALA A 40 -0.563 6.396 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.375 6.170 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.665 3.911 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.025 3.925 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.301 4.026 0.647 1.00 0.00 H new ATOM 626 N LEU A 41 2.152 6.292 2.611 1.00 0.00 N ATOM 627 CA LEU A 41 3.531 6.726 2.716 1.00 0.00 C ATOM 628 C LEU A 41 4.333 5.510 3.157 1.00 0.00 C ATOM 629 O LEU A 41 3.841 4.717 3.968 1.00 0.00 O ATOM 630 CB LEU A 41 3.681 7.839 3.774 1.00 0.00 C ATOM 631 CG LEU A 41 2.961 9.185 3.549 1.00 0.00 C ATOM 632 CD1 LEU A 41 3.150 9.715 2.124 1.00 0.00 C ATOM 633 CD2 LEU A 41 1.469 9.157 3.908 1.00 0.00 C ATOM 0 H LEU A 41 1.821 5.867 3.477 1.00 0.00 H new ATOM 0 HA LEU A 41 3.877 7.124 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.337 7.436 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.745 8.049 3.883 1.00 0.00 H new ATOM 0 HG LEU A 41 3.443 9.873 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.625 10.664 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.212 9.864 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.748 8.995 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.032 10.138 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.961 8.412 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.353 8.900 4.961 1.00 0.00 H new ATOM 645 N VAL A 42 5.537 5.340 2.612 1.00 0.00 N ATOM 646 CA VAL A 42 6.401 4.224 2.975 1.00 0.00 C ATOM 647 C VAL A 42 7.825 4.739 3.124 1.00 0.00 C ATOM 648 O VAL A 42 8.266 5.663 2.431 1.00 0.00 O ATOM 649 CB VAL A 42 6.284 3.022 2.015 1.00 0.00 C ATOM 650 CG1 VAL A 42 4.852 2.483 1.967 1.00 0.00 C ATOM 651 CG2 VAL A 42 6.751 3.321 0.588 1.00 0.00 C ATOM 0 H VAL A 42 5.936 5.967 1.913 1.00 0.00 H new ATOM 0 HA VAL A 42 6.070 3.821 3.932 1.00 0.00 H new ATOM 0 HB VAL A 42 6.955 2.269 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.805 1.637 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.551 2.160 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.179 3.268 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.638 2.428 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.149 4.128 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.799 3.621 0.603 1.00 0.00 H new ATOM 661 N GLU A 43 8.558 4.142 4.046 1.00 0.00 N ATOM 662 CA GLU A 43 9.926 4.478 4.350 1.00 0.00 C ATOM 663 C GLU A 43 10.627 3.149 4.559 1.00 0.00 C ATOM 664 O GLU A 43 10.207 2.369 5.401 1.00 0.00 O ATOM 665 CB GLU A 43 9.922 5.438 5.545 1.00 0.00 C ATOM 666 CG GLU A 43 11.250 5.546 6.290 1.00 0.00 C ATOM 667 CD GLU A 43 11.228 6.701 7.294 1.00 0.00 C ATOM 668 OE1 GLU A 43 10.187 6.923 7.955 1.00 0.00 O ATOM 669 OE2 GLU A 43 12.253 7.417 7.351 1.00 0.00 O ATOM 0 H GLU A 43 8.198 3.382 4.622 1.00 0.00 H new ATOM 0 HA GLU A 43 10.467 5.012 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.638 6.430 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.153 5.116 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.455 4.611 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.060 5.697 5.576 1.00 0.00 H new ATOM 676 N GLY A 44 11.644 2.886 3.747 1.00 0.00 N ATOM 677 CA GLY A 44 12.457 1.687 3.735 1.00 0.00 C ATOM 678 C GLY A 44 13.073 1.564 2.341 1.00 0.00 C ATOM 679 O GLY A 44 12.664 2.280 1.421 1.00 0.00 O ATOM 0 H GLY A 44 11.938 3.553 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.236 1.744 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.851 0.811 3.965 1.00 0.00 H new ATOM 683 N THR A 45 14.014 0.642 2.158 1.00 0.00 N ATOM 684 CA THR A 45 14.710 0.417 0.891 1.00 0.00 C ATOM 685 C THR A 45 13.892 -0.328 -0.188 1.00 0.00 C ATOM 686 O THR A 45 14.442 -0.695 -1.233 1.00 0.00 O ATOM 687 CB THR A 45 16.079 -0.231 1.193 1.00 0.00 C ATOM 688 OG1 THR A 45 16.032 -1.215 2.216 1.00 0.00 O ATOM 689 CG2 THR A 45 17.063 0.846 1.667 1.00 0.00 C ATOM 0 H THR A 45 14.322 0.016 2.902 1.00 0.00 H new ATOM 0 HA THR A 45 14.864 1.388 0.419 1.00 0.00 H new ATOM 0 HB THR A 45 16.389 -0.709 0.264 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.929 -1.585 2.355 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.029 0.388 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.182 1.598 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.678 1.318 2.571 1.00 0.00 H new ATOM 697 N ALA A 46 12.601 -0.590 0.046 1.00 0.00 N ATOM 698 CA ALA A 46 11.732 -1.287 -0.891 1.00 0.00 C ATOM 699 C ALA A 46 11.434 -0.427 -2.125 1.00 0.00 C ATOM 700 O ALA A 46 11.045 0.735 -2.007 1.00 0.00 O ATOM 701 CB ALA A 46 10.435 -1.670 -0.180 1.00 0.00 C ATOM 0 H ALA A 46 12.129 -0.316 0.908 1.00 0.00 H new ATOM 0 HA ALA A 46 12.241 -2.186 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.779 -2.193 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.661 -2.322 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.938 -0.769 0.180 1.00 0.00 H new ATOM 707 N ASP A 47 11.541 -1.018 -3.316 1.00 0.00 N ATOM 708 CA ASP A 47 11.299 -0.343 -4.596 1.00 0.00 C ATOM 709 C ASP A 47 9.794 -0.114 -4.828 1.00 0.00 C ATOM 710 O ASP A 47 9.000 -1.011 -4.521 1.00 0.00 O ATOM 711 CB ASP A 47 11.872 -1.204 -5.733 1.00 0.00 C ATOM 712 CG ASP A 47 12.564 -0.354 -6.798 1.00 0.00 C ATOM 713 OD1 ASP A 47 11.926 0.131 -7.751 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.805 -0.188 -6.703 1.00 0.00 O ATOM 0 H ASP A 47 11.803 -1.998 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 47 11.790 0.630 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.583 -1.921 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.069 -1.779 -6.193 1.00 0.00 H new ATOM 719 N PRO A 48 9.359 1.016 -5.416 1.00 0.00 N ATOM 720 CA PRO A 48 7.941 1.290 -5.660 1.00 0.00 C ATOM 721 C PRO A 48 7.261 0.271 -6.587 1.00 0.00 C ATOM 722 O PRO A 48 6.136 -0.154 -6.312 1.00 0.00 O ATOM 723 CB PRO A 48 7.897 2.708 -6.247 1.00 0.00 C ATOM 724 CG PRO A 48 9.304 2.963 -6.774 1.00 0.00 C ATOM 725 CD PRO A 48 10.173 2.155 -5.820 1.00 0.00 C ATOM 0 HA PRO A 48 7.377 1.207 -4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.158 2.782 -7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.621 3.440 -5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.416 2.628 -7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.558 4.023 -6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.091 1.827 -6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.467 2.752 -4.957 1.00 0.00 H new ATOM 733 N LYS A 49 7.929 -0.123 -7.679 1.00 0.00 N ATOM 734 CA LYS A 49 7.397 -1.080 -8.657 1.00 0.00 C ATOM 735 C LYS A 49 7.018 -2.401 -7.989 1.00 0.00 C ATOM 736 O LYS A 49 5.982 -2.989 -8.304 1.00 0.00 O ATOM 737 CB LYS A 49 8.379 -1.270 -9.826 1.00 0.00 C ATOM 738 CG LYS A 49 9.741 -1.875 -9.430 1.00 0.00 C ATOM 739 CD LYS A 49 10.838 -1.721 -10.493 1.00 0.00 C ATOM 740 CE LYS A 49 11.066 -0.251 -10.859 1.00 0.00 C ATOM 741 NZ LYS A 49 12.329 -0.030 -11.582 1.00 0.00 N ATOM 0 H LYS A 49 8.862 0.217 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 49 6.478 -0.670 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.914 -1.914 -10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.550 -0.304 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.079 -1.405 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.605 -2.935 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.768 -2.153 -10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.561 -2.280 -11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.236 0.098 -11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.064 0.349 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.430 0.981 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.127 -0.336 -10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.324 -0.579 -12.465 1.00 0.00 H new ATOM 755 N ALA A 50 7.858 -2.854 -7.054 1.00 0.00 N ATOM 756 CA ALA A 50 7.624 -4.089 -6.334 1.00 0.00 C ATOM 757 C ALA A 50 6.342 -3.977 -5.510 1.00 0.00 C ATOM 758 O ALA A 50 5.545 -4.911 -5.531 1.00 0.00 O ATOM 759 CB ALA A 50 8.831 -4.414 -5.454 1.00 0.00 C ATOM 0 H ALA A 50 8.714 -2.370 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 50 7.495 -4.907 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.649 -5.344 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.717 -4.524 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.989 -3.606 -4.740 1.00 0.00 H new ATOM 765 N LEU A 51 6.129 -2.854 -4.810 1.00 0.00 N ATOM 766 CA LEU A 51 4.932 -2.661 -3.993 1.00 0.00 C ATOM 767 C LEU A 51 3.675 -2.666 -4.861 1.00 0.00 C ATOM 768 O LEU A 51 2.734 -3.390 -4.526 1.00 0.00 O ATOM 769 CB LEU A 51 5.000 -1.367 -3.160 1.00 0.00 C ATOM 770 CG LEU A 51 5.530 -1.570 -1.729 1.00 0.00 C ATOM 771 CD1 LEU A 51 6.984 -2.051 -1.706 1.00 0.00 C ATOM 772 CD2 LEU A 51 5.430 -0.253 -0.950 1.00 0.00 C ATOM 0 H LEU A 51 6.775 -2.065 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 51 4.884 -3.498 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.639 -0.649 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.004 -0.928 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 51 4.915 -2.341 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.309 -2.178 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.061 -3.003 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.619 -1.314 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.806 -0.400 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.024 0.512 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.389 0.067 -0.908 1.00 0.00 H new ATOM 784 N VAL A 52 3.635 -1.874 -5.947 1.00 0.00 N ATOM 785 CA VAL A 52 2.437 -1.855 -6.791 1.00 0.00 C ATOM 786 C VAL A 52 2.132 -3.257 -7.330 1.00 0.00 C ATOM 787 O VAL A 52 0.997 -3.707 -7.170 1.00 0.00 O ATOM 788 CB VAL A 52 2.435 -0.764 -7.885 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.423 0.642 -7.270 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.605 -0.833 -8.869 1.00 0.00 C ATOM 0 H VAL A 52 4.391 -1.261 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 52 1.612 -1.559 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 52 1.522 -0.963 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.422 1.387 -8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.530 0.764 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.309 0.775 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.516 -0.027 -9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.544 -0.728 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.590 -1.793 -9.386 1.00 0.00 H new ATOM 800 N GLN A 53 3.115 -3.982 -7.890 1.00 0.00 N ATOM 801 CA GLN A 53 2.819 -5.321 -8.399 1.00 0.00 C ATOM 802 C GLN A 53 2.441 -6.277 -7.263 1.00 0.00 C ATOM 803 O GLN A 53 1.617 -7.165 -7.478 1.00 0.00 O ATOM 804 CB GLN A 53 3.974 -5.851 -9.269 1.00 0.00 C ATOM 805 CG GLN A 53 3.627 -7.148 -10.037 1.00 0.00 C ATOM 806 CD GLN A 53 2.348 -7.076 -10.885 1.00 0.00 C ATOM 807 OE1 GLN A 53 1.615 -8.055 -11.016 1.00 0.00 O ATOM 808 NE2 GLN A 53 2.064 -5.941 -11.501 1.00 0.00 N ATOM 0 H GLN A 53 4.082 -3.676 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 53 1.946 -5.256 -9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.261 -5.081 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.841 -6.036 -8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.463 -7.402 -10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.524 -7.961 -9.319 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.676 -5.133 -11.388 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.233 -5.874 -12.089 1.00 0.00 H new ATOM 817 N ALA A 54 3.002 -6.096 -6.060 1.00 0.00 N ATOM 818 CA ALA A 54 2.685 -6.952 -4.929 1.00 0.00 C ATOM 819 C ALA A 54 1.201 -6.837 -4.589 1.00 0.00 C ATOM 820 O ALA A 54 0.560 -7.862 -4.348 1.00 0.00 O ATOM 821 CB ALA A 54 3.541 -6.618 -3.701 1.00 0.00 C ATOM 0 H ALA A 54 3.678 -5.361 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 54 2.913 -7.979 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.272 -7.281 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.595 -6.752 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.365 -5.584 -3.405 1.00 0.00 H new ATOM 827 N VAL A 55 0.653 -5.615 -4.540 1.00 0.00 N ATOM 828 CA VAL A 55 -0.765 -5.457 -4.214 1.00 0.00 C ATOM 829 C VAL A 55 -1.687 -5.853 -5.370 1.00 0.00 C ATOM 830 O VAL A 55 -2.766 -6.398 -5.113 1.00 0.00 O ATOM 831 CB VAL A 55 -1.103 -4.049 -3.682 1.00 0.00 C ATOM 832 CG1 VAL A 55 -0.448 -3.833 -2.318 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.700 -2.902 -4.617 1.00 0.00 C ATOM 0 H VAL A 55 1.156 -4.745 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.954 -6.158 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.190 -4.021 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.692 -2.836 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.817 -4.579 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.633 -3.929 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.975 -1.950 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.377 -2.928 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.216 -3.012 -5.571 1.00 0.00 H new ATOM 843 N GLU A 56 -1.254 -5.629 -6.613 1.00 0.00 N ATOM 844 CA GLU A 56 -1.993 -5.901 -7.842 1.00 0.00 C ATOM 845 C GLU A 56 -2.454 -7.351 -8.001 1.00 0.00 C ATOM 846 O GLU A 56 -3.478 -7.578 -8.648 1.00 0.00 O ATOM 847 CB GLU A 56 -1.127 -5.434 -9.021 1.00 0.00 C ATOM 848 CG GLU A 56 -1.881 -5.324 -10.348 1.00 0.00 C ATOM 849 CD GLU A 56 -1.161 -4.343 -11.274 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.345 -3.117 -11.069 1.00 0.00 O ATOM 851 OE2 GLU A 56 -0.357 -4.769 -12.131 1.00 0.00 O ATOM 0 H GLU A 56 -0.332 -5.233 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.929 -5.344 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.697 -4.462 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.296 -6.129 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.947 -6.304 -10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.902 -4.987 -10.170 1.00 0.00 H new ATOM 858 N GLU A 57 -1.774 -8.327 -7.388 1.00 0.00 N ATOM 859 CA GLU A 57 -2.156 -9.741 -7.499 1.00 0.00 C ATOM 860 C GLU A 57 -3.573 -10.004 -6.986 1.00 0.00 C ATOM 861 O GLU A 57 -4.252 -10.912 -7.467 1.00 0.00 O ATOM 862 CB GLU A 57 -1.174 -10.655 -6.742 1.00 0.00 C ATOM 863 CG GLU A 57 0.306 -10.569 -7.146 1.00 0.00 C ATOM 864 CD GLU A 57 0.627 -10.968 -8.591 1.00 0.00 C ATOM 865 OE1 GLU A 57 -0.278 -11.017 -9.455 1.00 0.00 O ATOM 866 OE2 GLU A 57 1.814 -11.219 -8.893 1.00 0.00 O ATOM 0 H GLU A 57 -0.952 -8.163 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.122 -9.974 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.249 -10.427 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.502 -11.686 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.648 -9.546 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.884 -11.206 -6.476 1.00 0.00 H new ATOM 873 N GLU A 58 -4.042 -9.208 -6.024 1.00 0.00 N ATOM 874 CA GLU A 58 -5.379 -9.358 -5.462 1.00 0.00 C ATOM 875 C GLU A 58 -6.452 -8.728 -6.369 1.00 0.00 C ATOM 876 O GLU A 58 -7.626 -8.711 -6.004 1.00 0.00 O ATOM 877 CB GLU A 58 -5.399 -8.762 -4.047 1.00 0.00 C ATOM 878 CG GLU A 58 -4.481 -9.476 -3.042 1.00 0.00 C ATOM 879 CD GLU A 58 -5.038 -10.803 -2.515 1.00 0.00 C ATOM 880 OE1 GLU A 58 -5.665 -11.596 -3.254 1.00 0.00 O ATOM 881 OE2 GLU A 58 -4.865 -11.079 -1.305 1.00 0.00 O ATOM 0 H GLU A 58 -3.505 -8.444 -5.615 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.623 -10.419 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.108 -7.713 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.421 -8.789 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.517 -9.662 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.298 -8.811 -2.198 1.00 0.00 H new ATOM 888 N GLY A 59 -6.081 -8.223 -7.549 1.00 0.00 N ATOM 889 CA GLY A 59 -7.004 -7.609 -8.490 1.00 0.00 C ATOM 890 C GLY A 59 -7.567 -6.309 -7.932 1.00 0.00 C ATOM 891 O GLY A 59 -8.776 -6.063 -7.984 1.00 0.00 O ATOM 0 H GLY A 59 -5.115 -8.233 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.492 -7.413 -9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.819 -8.299 -8.708 1.00 0.00 H new ATOM 895 N TYR A 60 -6.683 -5.488 -7.367 1.00 0.00 N ATOM 896 CA TYR A 60 -6.991 -4.205 -6.759 1.00 0.00 C ATOM 897 C TYR A 60 -6.140 -3.131 -7.444 1.00 0.00 C ATOM 898 O TYR A 60 -5.040 -3.427 -7.925 1.00 0.00 O ATOM 899 CB TYR A 60 -6.739 -4.333 -5.249 1.00 0.00 C ATOM 900 CG TYR A 60 -7.627 -5.294 -4.462 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.960 -5.560 -4.840 1.00 0.00 C ATOM 902 CD2 TYR A 60 -7.097 -5.937 -3.324 1.00 0.00 C ATOM 903 CE1 TYR A 60 -9.734 -6.479 -4.114 1.00 0.00 C ATOM 904 CE2 TYR A 60 -7.868 -6.850 -2.585 1.00 0.00 C ATOM 905 CZ TYR A 60 -9.188 -7.136 -2.991 1.00 0.00 C ATOM 906 OH TYR A 60 -9.931 -8.017 -2.273 1.00 0.00 O ATOM 0 H TYR A 60 -5.689 -5.714 -7.321 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.032 -3.909 -6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.703 -4.640 -5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.842 -3.342 -4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.387 -5.054 -5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.084 -5.724 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.751 -6.684 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.452 -7.330 -1.711 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.393 -8.374 -1.536 1.00 0.00 H new ATOM 916 N LYS A 61 -6.637 -1.889 -7.503 1.00 0.00 N ATOM 917 CA LYS A 61 -5.938 -0.783 -8.158 1.00 0.00 C ATOM 918 C LYS A 61 -4.796 -0.292 -7.289 1.00 0.00 C ATOM 919 O LYS A 61 -4.816 -0.436 -6.063 1.00 0.00 O ATOM 920 CB LYS A 61 -6.883 0.398 -8.476 1.00 0.00 C ATOM 921 CG LYS A 61 -7.741 0.226 -9.735 1.00 0.00 C ATOM 922 CD LYS A 61 -8.739 -0.939 -9.707 1.00 0.00 C ATOM 923 CE LYS A 61 -9.940 -0.788 -8.770 1.00 0.00 C ATOM 924 NZ LYS A 61 -10.827 0.299 -9.220 1.00 0.00 N ATOM 0 H LYS A 61 -7.535 -1.626 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.549 -1.167 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.544 0.553 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.285 1.303 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.294 1.150 -9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.077 0.091 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.113 -1.092 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.199 -1.844 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.497 -1.724 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.592 -0.583 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.675 0.326 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.325 1.207 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.108 0.132 -10.207 1.00 0.00 H new ATOM 938 N ALA A 62 -3.793 0.288 -7.935 1.00 0.00 N ATOM 939 CA ALA A 62 -2.621 0.854 -7.309 1.00 0.00 C ATOM 940 C ALA A 62 -2.036 1.869 -8.279 1.00 0.00 C ATOM 941 O ALA A 62 -2.210 1.762 -9.495 1.00 0.00 O ATOM 942 CB ALA A 62 -1.594 -0.238 -6.993 1.00 0.00 C ATOM 0 H ALA A 62 -3.780 0.377 -8.951 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.887 1.331 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.719 0.210 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.036 -0.968 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.295 -0.734 -7.916 1.00 0.00 H new ATOM 948 N GLU A 63 -1.343 2.855 -7.734 1.00 0.00 N ATOM 949 CA GLU A 63 -0.665 3.927 -8.442 1.00 0.00 C ATOM 950 C GLU A 63 0.480 4.340 -7.513 1.00 0.00 C ATOM 951 O GLU A 63 0.418 4.085 -6.307 1.00 0.00 O ATOM 952 CB GLU A 63 -1.628 5.101 -8.701 1.00 0.00 C ATOM 953 CG GLU A 63 -1.356 5.844 -10.017 1.00 0.00 C ATOM 954 CD GLU A 63 -2.188 5.301 -11.184 1.00 0.00 C ATOM 955 OE1 GLU A 63 -3.427 5.492 -11.182 1.00 0.00 O ATOM 956 OE2 GLU A 63 -1.642 4.705 -12.133 1.00 0.00 O ATOM 0 H GLU A 63 -1.232 2.932 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.301 3.616 -9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.651 4.725 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.556 5.807 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.573 6.904 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.297 5.764 -10.263 1.00 0.00 H new ATOM 963 N VAL A 64 1.532 4.971 -8.023 1.00 0.00 N ATOM 964 CA VAL A 64 2.652 5.384 -7.187 1.00 0.00 C ATOM 965 C VAL A 64 3.155 6.737 -7.665 1.00 0.00 C ATOM 966 O VAL A 64 2.967 7.086 -8.833 1.00 0.00 O ATOM 967 CB VAL A 64 3.701 4.254 -7.139 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.205 3.807 -8.518 1.00 0.00 C ATOM 969 CG2 VAL A 64 4.883 4.608 -6.234 1.00 0.00 C ATOM 0 H VAL A 64 1.632 5.207 -9.010 1.00 0.00 H new ATOM 0 HA VAL A 64 2.358 5.537 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 64 3.169 3.404 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.939 3.010 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.367 3.441 -9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.668 4.652 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.597 3.785 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.370 5.509 -6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.525 4.783 -5.220 1.00 0.00 H new ATOM 979 N LEU A 65 3.741 7.522 -6.758 1.00 0.00 N ATOM 980 CA LEU A 65 4.282 8.840 -7.037 1.00 0.00 C ATOM 981 C LEU A 65 5.610 8.948 -6.304 1.00 0.00 C ATOM 982 O LEU A 65 5.666 9.362 -5.148 1.00 0.00 O ATOM 983 CB LEU A 65 3.285 9.946 -6.655 1.00 0.00 C ATOM 984 CG LEU A 65 3.871 11.369 -6.772 1.00 0.00 C ATOM 985 CD1 LEU A 65 4.530 11.653 -8.130 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.744 12.376 -6.535 1.00 0.00 C ATOM 0 H LEU A 65 3.852 7.243 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 65 4.453 8.976 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.406 9.869 -7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.948 9.783 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 65 4.658 11.459 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.919 12.671 -8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.348 10.950 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.792 11.539 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.139 13.389 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.964 12.232 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.325 12.226 -5.540 1.00 0.00 H new ATOM 998 N ALA A 66 6.669 8.469 -6.948 1.00 0.00 N ATOM 999 CA ALA A 66 7.998 8.528 -6.374 1.00 0.00 C ATOM 1000 C ALA A 66 8.468 9.965 -6.443 1.00 0.00 C ATOM 1001 O ALA A 66 8.208 10.647 -7.455 1.00 0.00 O ATOM 1002 CB ALA A 66 8.951 7.602 -7.124 1.00 0.00 C ATOM 0 H ALA A 66 6.627 8.035 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 66 7.978 8.193 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.943 7.662 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.586 6.577 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.005 7.905 -8.170 1.00 0.00 H new TER 1008 ALA A 66